N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methyl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methyl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methyl-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]-3-methylbenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylbenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]-3-methyl-benzamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C

InChI

InChI=1S/C22H27N3O3/c1-16-4-3-5-18(12-16)22(26)23-14-19(25-10-8-24(2)9-11-25)17-6-7-20-21(13-17)28-15-27-20/h3-7,12-13,19H,8-11,14-15H2,1-2H3,(H,23,26)